1-(2,6-difluorophenyl)-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol

C17H17F2NO — CID 111449301

IUPAC1-(2,6-difluorophenyl)-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol
SMILESOC(CNC/C=C/c1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C17H17F2NO/c18-14-9-4-10-15(19)17(14)16(21)12-20-11-5-8-13-6-2-1-3-7-13/h1-10,16,20-21H,11-12H2/b8-5+
InChIKeyFLCVDJZBAQVTLJ-VMPITWQZSA-N
MW289.33 g/mol
LogP3.30
Rot. Bonds6

About 1-(2,6-difluorophenyl)-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol

1-(2,6-difluorophenyl)-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol (PubChem CID 111449301) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol
PubChem CID111449301
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-(2,6-difluorophenyl)-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol
SMILESOC(CNC/C=C/c1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C17H17F2NO/c18-14-9-4-10-15(19)17(14)16(21)12-20-11-5-8-13-6-2-1-3-7-13/h1-10,16,20-21H,11-12H2/b8-5+
InChIKeyFLCVDJZBAQVTLJ-VMPITWQZSA-N
XLogP3.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 6198651
1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride
CID 78411509
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
2-methyl-3-(3-phenylprop-2-enylamino)propan-1-ol
CID 76950990
1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol
CID 4720329
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene
CID 111450119
1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953069
1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285685
2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid
CID 99726876
N-[3-(2,6-difluorophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347750
2,2-difluoro-3-[[(E)-3-phenylprop-2-enyl]amino]propan-1-ol
CID 104857586

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol (CID 111449301) is 1-(2,6-difluorophenyl)-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol is OC(CNC/C=C/c1ccccc1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol?
The InChIKey is FLCVDJZBAQVTLJ-VMPITWQZSA-N. The full InChI is InChI=1S/C17H17F2NO/c18-14-9-4-10-15(19)17(14)16(21)12-20-11-5-8-13-6-2-1-3-7-13/h1-10,16,20-21H,11-12H2/b8-5+.
What are the key properties of 1-(2,6-difluorophenyl)-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol?
1-(2,6-difluorophenyl)-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol has a molecular weight of 289.33 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol is sourced from PubChem (CID 111449301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).